SCHEMBL6665405

SCHEMBL6665405

CCCCC[C@H]1CC[C@H](c2ccc(CCOC(F)(F)c3ccc([C@H]4CC[C@H](CCCCC)CC4)cc3F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.41
SPHK2 Q9NRA0 7/20 0.37
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6667628 0.98 SPHK1 (0.40) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6666214 0.98 SPHK1 (0.40) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6664037 0.97 SPHK1 (0.39) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6664187 0.97 SPHK1 (0.39) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6666356 0.97 SPHK1 (0.43) SPHK1SPHK2HRH3
SCHEMBL6667708 0.97 SPHK1 (0.38) SPHK1SPHK2CYP2C9HRH3
SCHEMBL6666045 0.96 SPHK1 (0.38) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6666673 0.96 SPHK1 (0.38) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6665030 0.93 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL6666310 0.93 SPHK1 (0.34) SPHK1SPHK2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed